(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide

C24H26N4O2 — CID 7593356

IUPAC(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1
InChIInChI=1S/C24H26N4O2/c1-2-21(18-6-4-3-5-7-18)24(29)25-20-10-8-19(9-11-20)22-12-13-23(27-26-22)28-14-16-30-17-15-28/h3-13,21H,2,14-17H2,1H3,(H,25,29)/t21-/m0/s1
InChIKeyIBFALFSTWQYRPF-NRFANRHFSA-N
MW402.50 g/mol
LogP4.11
Rot. Bonds6

About (2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide

(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide (PubChem CID 7593356) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide
PubChem CID7593356
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1
InChIInChI=1S/C24H26N4O2/c1-2-21(18-6-4-3-5-7-18)24(29)25-20-10-8-19(9-11-20)22-12-13-23(27-26-22)28-14-16-30-17-15-28/h3-13,21H,2,14-17H2,1H3,(H,25,29)/t21-/m0/s1
InChIKeyIBFALFSTWQYRPF-NRFANRHFSA-N
XLogP4.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
(2R)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylbutanamide
CID 7593177
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122297288
2-(2-methoxyphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992796
(2S)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670506
2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 16800087
2-(3-methylphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7593368
2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7593337
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
CID 72718115
2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992745

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide (CID 7593356) is (2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide?
The InChIKey is IBFALFSTWQYRPF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-21(18-6-4-3-5-7-18)24(29)25-20-10-8-19(9-11-20)22-12-13-23(27-26-22)28-14-16-30-17-15-28/h3-13,21H,2,14-17H2,1H3,(H,25,29)/t21-/m0/s1.
What are the key properties of (2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide?
(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide has a molecular weight of 402.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 7593356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).